| SpectraBase Spectrum ID |
KTCBD5bDeU4 |
| Name |
(3ar,5S,8ar,9ar)-3-[(Diethylamino)methyl]-3A,5,6,7,8,8A,9,9A-octahydro-5,8A-dimethylnaphtho[2,3-B]furan-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.235479240 u |
| Formula |
C19H31NO2 |
| InChI |
InChI=1S/C19H31NO2/c1-5-20(6-2)12-15-14-10-16-13(3)8-7-9-19(16,4)11-17(14)22-18(15)21/h10,13-15,17H,5-9,11-12H2,1-4H3/t13-,14+,15?,17+,19+/m0/s1 |
| InChIKey |
YPDSEHLNZIUKPI-UZRLAVFOSA-N |
| Molecular Weight |
305.462 g/mol |
| SMILES |
C[C@]1(CCC[C@]2(C1=C[C@@]1(C(C(O[C@]1([H])C2)=O)CN(CC)CC)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923694 |
![(3aR,5S,8aR,9aR)-3-[(diethylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one](/api/spectrum/KTCBD5bDeU4/structure.png?h=300&w=458 "(3aR,5S,8aR,9aR)-3-[(diethylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one")
